⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13725241 | 0.87 | — | — | |
| SCHEMBL27820668 | 0.87 | — | — | |
| SCHEMBL13724233 | 0.87 | — | — | |
| SCHEMBL28589685 | 0.75 | — | — | |
| SCHEMBL8751767 | 0.75 | — | — | |
| SCHEMBL31337151 | 0.75 | — | — | |
| SCHEMBL6516836 | 0.75 | — | — | |
| Water SCHEMBL31206563 | 0.75 | — | — | |
| SCHEMBL29785583 | 0.75 | — | — | |
| SCHEMBL7917424 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012149130-A1 | PROCESS FOR PRODUCTION OF ETHANOL USING A MIXED FEED USING COPPER CONTAINING CATALYST | CELANESE INTERNATIONAL CORPORATION (US) | 2012-11-01 | — | — | WO | disclosed |